3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol

C13H18ClNO — CID 117352123

IUPAC3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
SMILESCc1cc(O)c(Cl)c(C2(CN)CCCC2)c1
InChIInChI=1S/C13H18ClNO/c1-9-6-10(12(14)11(16)7-9)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3
InChIKeyUJRQMMGUPGNTHT-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.12
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol

3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol (PubChem CID 117352123) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
PubChem CID117352123
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
SMILESCc1cc(O)c(Cl)c(C2(CN)CCCC2)c1
InChIInChI=1S/C13H18ClNO/c1-9-6-10(12(14)11(16)7-9)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3
InChIKeyUJRQMMGUPGNTHT-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
CID 84800201
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol?
The IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol (CID 117352123) is 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol is Cc1cc(O)c(Cl)c(C2(CN)CCCC2)c1.
What is the InChIKey of 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol?
The InChIKey is UJRQMMGUPGNTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-6-10(12(14)11(16)7-9)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol?
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol has a molecular weight of 239.75 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol is sourced from PubChem (CID 117352123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).